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{
"id": "jvasp-8227",
"created_at": "2022-09-04T14:36:35.166902Z",
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{
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{
"id": "jvasp-21143",
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"structure_string": "Li2 Ca2 Al2 F12\n1.0\n2.515620 -4.357183 0.000000\n2.515620 4.357183 -0.000000\n0.000000 -0.000000 9.680807\nLi Ca Al F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.250000 Al\n0.652038 0.625008 0.642659 F\n0.347962 0.972969 0.142659 F\n0.972969 0.347962 0.642659 F\n0.374992 0.347962 0.857341 F\n0.652038 0.027031 0.857341 F\n0.027031 0.652038 0.357341 F\n0.625008 0.972969 0.357341 F\n0.027031 0.374992 0.142659 F\n0.347962 0.374992 0.357341 F\n0.972969 0.625008 0.857341 F\n0.374992 0.027031 0.642659 F\n0.625008 0.652038 0.142659 F\n",
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{
"id": "jvasp-26365",
"created_at": "2022-09-04T14:37:47.759341Z",
"updated_at": "2022-09-04T14:37:47.759350Z",
"structure_string": "Rb1 Ge1 I1 O6\n1.0\n5.105494 0.000042 -0.000055\n2.552704 4.421549 -0.000046\n0.000046 -0.000030 6.361379\nRb Ge I O\n1 1 1 6\ndirect\n0.999998 0.000002 -0.000000 Rb\n0.333329 0.333334 0.500000 Ge\n0.666666 0.666666 0.500001 I\n0.997852 0.617820 0.328865 O\n0.617816 0.997849 0.671134 O\n0.384332 0.617816 0.671134 O\n0.997852 0.384326 0.671136 O\n0.617817 0.384333 0.328867 O\n0.384332 0.997853 0.328866 O\n",
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{
"id": "jvasp-112327",
"created_at": "2022-09-04T14:38:26.373781Z",
"updated_at": "2022-09-04T14:38:26.373804Z",
"structure_string": "Li3 Ti3 Co3 F18\n1.0\n8.624911 -0.000000 0.000000\n-4.312455 7.469393 0.000000\n-0.000000 -0.000000 4.598238\nLi Ti Co F\n3 3 3 18\ndirect\n0.683268 0.000000 0.500000 Li\n0.000000 0.683268 0.500000 Li\n0.316732 0.316732 0.500000 Li\n0.338882 0.000000 -0.000000 Ti\n0.000000 0.338882 -0.000000 Ti\n0.661118 0.661118 -0.000000 Ti\n0.333334 0.666666 0.497672 Co\n0.666667 0.333333 0.502329 Co\n0.000000 0.000000 0.000000 Co\n0.122078 0.886826 0.244079 F\n0.772356 0.561727 0.249363 F\n0.210629 0.438273 0.750638 F\n0.789371 0.227644 0.249363 F\n0.438273 0.210629 0.249363 F\n0.886826 0.122078 0.755922 F\n0.877922 0.764748 0.755922 F\n0.235252 0.113174 0.755922 F\n0.554260 0.450390 0.752437 F\n0.113174 0.235252 0.244079 F\n0.896130 0.445740 0.752437 F\n0.227644 0.789371 0.750638 F\n0.445740 0.896130 0.247563 F\n0.549610 0.103870 0.752437 F\n0.450390 0.554260 0.247563 F\n0.103870 0.549610 0.247563 F\n0.764748 0.877922 0.244079 F\n0.561727 0.772356 0.750638 F\n",
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{
"id": "jvasp-117352",
"created_at": "2022-09-04T14:38:26.189979Z",
"updated_at": "2022-09-04T14:38:26.190005Z",
"structure_string": "Li2 V2 Cd2 F12\n1.0\n5.155126 0.000000 0.000000\n-2.577563 4.464470 0.000000\n-0.000000 -0.000000 9.622791\nLi V Cd F\n2 2 2 12\ndirect\n0.333334 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 V\n0.333334 0.666667 0.250000 V\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.009513 0.648112 0.137545 F\n0.638600 0.648112 0.362455 F\n0.990489 0.351888 0.862455 F\n0.361401 0.351888 0.637545 F\n0.351889 0.361401 0.137545 F\n0.990489 0.638599 0.637545 F\n0.648113 0.638599 0.862455 F\n0.361401 0.009512 0.862455 F\n0.351889 0.990488 0.362455 F\n0.648112 0.009512 0.637545 F\n0.009513 0.361401 0.362455 F\n0.638601 0.990488 0.137545 F\n",
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"formula_full": "Li2 V2 Cd2 F12",
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{
"id": "jvasp-48083",
"created_at": "2022-09-04T14:38:27.033895Z",
"updated_at": "2022-09-04T14:38:27.033915Z",
"structure_string": "Li2 Sb2 W2 O12\n1.0\n3.725093 2.098589 -5.905679\n-0.007796 4.275552 5.905679\n3.565837 -2.079540 5.893570\nLi Sb W O\n2 2 2 12\ndirect\n0.125000 0.375000 0.375000 Li\n0.624999 0.875000 0.375000 Li\n0.124999 0.875000 0.375000 Sb\n0.125000 0.875000 0.875000 Sb\n0.125000 0.375000 0.875000 W\n0.625000 0.875000 0.875000 W\n0.447079 0.941570 0.945498 O\n0.428076 0.571924 0.928093 O\n0.191570 0.197079 0.804502 O\n0.802915 0.808464 0.189994 O\n0.447084 0.941535 0.560005 O\n0.039509 0.960490 0.539515 O\n0.058464 0.552916 0.560005 O\n0.802920 0.808430 0.804501 O\n0.210490 0.789510 0.210485 O\n0.191536 0.197084 0.189995 O\n0.058430 0.552921 0.945499 O\n0.821924 0.178076 0.821907 O\n",
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{
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"created_at": "2022-09-04T14:38:27.184365Z",
"updated_at": "2022-09-04T14:38:27.184402Z",
"structure_string": "Ba1 Na1 H6 Ir1\n1.0\n4.769322 -0.000000 2.753569\n1.589774 4.496560 2.753569\n-0.000000 -0.000000 5.507138\nBa Na H Ir\n1 1 6 1\ndirect\n0.749999 0.750000 0.750001 Ba\n0.250000 0.250000 0.250000 Na\n0.782298 0.217702 0.217702 H\n0.217701 0.782298 0.217702 H\n0.782297 0.782298 0.217703 H\n0.217701 0.782298 0.782299 H\n0.782298 0.217702 0.782299 H\n0.217702 0.217702 0.782299 H\n0.000000 0.000000 0.000000 Ir\n",
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{
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"created_at": "2022-09-04T14:38:14.382832Z",
"updated_at": "2022-09-04T14:38:14.382850Z",
"structure_string": "Li3 Mn3 Fe3 F18\n1.0\n4.284180 -7.420418 -0.000000\n4.284180 7.420418 0.000000\n0.000000 0.000000 4.644262\nLi Mn Fe F\n3 3 3 18\ndirect\n-0.000000 0.701889 0.500000 Li\n0.701889 -0.000000 0.500000 Li\n0.298111 0.298111 0.500000 Li\n0.361803 -0.000000 0.000000 Mn\n0.638197 0.638197 0.000000 Mn\n-0.000000 0.361803 0.000000 Mn\n0.333333 0.666667 0.502680 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.497319 Fe\n0.419955 0.543862 0.731389 F\n0.455641 0.220767 0.724267 F\n0.220767 0.455641 0.275733 F\n0.234874 0.779233 0.275733 F\n0.544359 0.765126 0.275733 F\n0.456138 0.876093 0.731389 F\n0.123907 0.580045 0.731389 F\n0.543862 0.419955 0.268611 F\n0.100516 0.212621 0.776143 F\n0.580045 0.123907 0.268611 F\n0.112105 0.899484 0.776143 F\n0.765126 0.544359 0.724267 F\n0.787378 0.887894 0.776143 F\n0.899484 0.112105 0.223856 F\n0.887894 0.787378 0.223856 F\n0.212621 0.100516 0.223856 F\n0.876093 0.456138 0.268611 F\n0.779233 0.234874 0.724267 F\n",
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{
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"created_at": "2022-09-04T14:36:07.889149Z",
"updated_at": "2022-09-04T14:36:07.889159Z",
"structure_string": "Sr4 Li4 Fe4 F24\n1.0\n5.227057 0.000000 -0.194495\n0.000000 8.676328 0.000000\n0.020553 0.000000 10.260154\nSr Li Fe F\n4 4 4 24\ndirect\n0.251928 0.285767 0.499857 Sr\n0.748073 0.785767 0.000143 Sr\n0.251927 0.214234 0.999856 Sr\n0.748072 0.714234 0.500143 Sr\n0.285684 0.919385 0.740075 Li\n0.714316 0.419385 0.759924 Li\n0.714316 0.080615 0.259924 Li\n0.285684 0.580615 0.240075 Li\n0.784466 0.417601 0.250304 Fe\n0.215534 0.917601 0.249695 Fe\n0.784466 0.082399 0.750304 Fe\n0.215534 0.582399 0.749695 Fe\n0.074485 0.092921 0.648381 F\n0.490023 0.547074 0.638313 F\n0.391997 0.773812 0.353078 F\n0.509977 0.452927 0.361686 F\n0.006426 0.457516 0.638880 F\n0.074486 0.407079 0.148382 F\n0.608003 0.226188 0.646922 F\n0.006426 0.042485 0.138880 F\n0.364382 0.420485 0.847813 F\n0.993574 0.542485 0.361119 F\n0.880103 0.247889 0.354216 F\n0.635617 0.579516 0.152186 F\n0.993574 0.957516 0.861119 F\n0.490023 0.952927 0.138313 F\n0.635617 0.920485 0.652186 F\n0.364383 0.079516 0.347813 F\n0.119897 0.752112 0.645784 F\n0.509976 0.047074 0.861686 F\n0.880103 0.252111 0.854215 F\n0.925515 0.907079 0.351618 F\n0.119897 0.747889 0.145784 F\n0.391996 0.726188 0.853077 F\n0.925514 0.592921 0.851618 F\n0.608004 0.273812 0.146922 F\n",
"nsites": 36,
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],
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"formula_full": "Sr4 Li4 Fe4 F24",
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{
"id": "jvasp-96515",
"created_at": "2022-09-04T14:36:06.294950Z",
"updated_at": "2022-09-04T14:36:06.294970Z",
"structure_string": "Li3 Ti3 Mn3 F18\n1.0\n8.762014 0.000000 -0.000000\n-4.381007 7.588127 0.000000\n-0.000000 0.000000 4.713686\nLi Ti Mn F\n3 3 3 18\ndirect\n0.000000 0.000000 0.000000 Li\n0.333333 0.666667 0.497135 Li\n0.666667 0.333333 0.502866 Li\n-0.000000 0.311440 0.500000 Ti\n0.688560 0.688560 0.500000 Ti\n0.311440 -0.000000 0.500000 Ti\n0.642926 -0.000000 0.000000 Mn\n0.357074 0.357074 0.000000 Mn\n-0.000000 0.642926 0.000000 Mn\n0.890124 0.779711 0.237556 F\n0.220290 0.110414 0.237556 F\n0.777614 0.218362 0.727276 F\n0.781638 0.559252 0.727276 F\n0.440748 0.222386 0.727276 F\n0.218361 0.777615 0.272724 F\n0.533209 0.111206 0.269924 F\n0.888794 0.422003 0.269924 F\n0.111206 0.533210 0.730076 F\n0.422003 0.888795 0.730076 F\n0.577997 0.466791 0.269924 F\n0.779710 0.890125 0.762445 F\n0.559252 0.781639 0.272724 F\n0.110414 0.220290 0.762445 F\n0.889586 0.109876 0.237556 F\n0.109876 0.889586 0.762445 F\n0.222385 0.440748 0.272724 F\n0.466790 0.577997 0.730076 F\n",
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],
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"formula_full": "Li3 Ti3 Mn3 F18",
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{
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"created_at": "2022-09-04T14:35:46.764925Z",
"updated_at": "2022-09-04T14:35:46.764947Z",
"structure_string": "K1 Rb1 Mn1 F6\n1.0\n5.064518 -0.000000 2.924001\n1.688173 4.774874 2.924001\n-0.000000 -0.000000 5.848002\nK Rb Mn F\n1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750000 Rb\n0.000000 0.000000 0.000000 Mn\n0.778558 0.778558 0.221442 F\n0.221442 0.778558 0.221442 F\n0.778558 0.221442 0.221442 F\n0.221442 0.221442 0.778558 F\n0.778558 0.221442 0.778558 F\n0.221442 0.778558 0.778558 F\n",
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}
]
}